N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide

C14H16N4O2 — CID 15943467

IUPACN-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide
SMILESCC(=O)c1ccc(NC(=O)CC(C)n2cncn2)cc1
InChIInChI=1S/C14H16N4O2/c1-10(18-9-15-8-16-18)7-14(20)17-13-5-3-12(4-6-13)11(2)19/h3-6,8-10H,7H2,1-2H3,(H,17,20)
InChIKeyDUYUFCFJRIZRHA-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.07
Rot. Bonds5

About N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide

N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide (PubChem CID 15943467) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide
PubChem CID15943467
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide
SMILESCC(=O)c1ccc(NC(=O)CC(C)n2cncn2)cc1
InChIInChI=1S/C14H16N4O2/c1-10(18-9-15-8-16-18)7-14(20)17-13-5-3-12(4-6-13)11(2)19/h3-6,8-10H,7H2,1-2H3,(H,17,20)
InChIKeyDUYUFCFJRIZRHA-UHFFFAOYSA-N
XLogP2.07
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-phenyl-3-(1,2,4-triazol-1-yl)butanamide
CID 39730515
N-(4-ethoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 15943640
(3R)-3-(1,2,4-triazol-1-yl)butanehydrazide
CID 35399839
(3S)-N-(5-methyl-1,2-oxazol-3-yl)-3-(1,2,4-triazol-1-yl)butanamide
CID 40793194
(3S)-N-(5-chloro-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)butanamide
CID 8722030
3,3-dimethyl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 46403524
(3S)-N-phenyl-3-pyrazol-1-ylbutanamide
CID 92708085
(2R)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 32592112
(3S)-N-(4-chlorophenyl)-3-pyrazol-1-ylbutanamide
CID 92707965
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
N-[4-(3-pyridin-4-ylpropanoylamino)phenyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 60509170
(3R)-N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)butanamide
CID 92708178

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide (CID 15943467) is N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide is CC(=O)c1ccc(NC(=O)CC(C)n2cncn2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is DUYUFCFJRIZRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10(18-9-15-8-16-18)7-14(20)17-13-5-3-12(4-6-13)11(2)19/h3-6,8-10H,7H2,1-2H3,(H,17,20).
What are the key properties of N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide?
N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 272.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 15943467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).